⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9842795 | 0.87 | TSHR (0.32) | — | |
| SCHEMBL38523 | 0.79 | TSHR (0.32) | — | |
| SCHEMBL1655560 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL5549782 | 0.73 | TSHR (0.35) | — | |
| SCHEMBL31229754 | 0.72 | TSHR (0.31) | — | |
| SCHEMBL2672389 | 0.72 | — | — | |
| Butane SCHEMBL6520959 | 0.72 | — | — | |
| SCHEMBL11424061 | 0.71 | — | — | |
| SCHEMBL7791410 | 0.70 | TSHR (0.32) | — | |
| SCHEMBL308114 | 0.69 | CA2 (0.38) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5516856-A | IMPROVED PROCESS FOR THE MODIFICATION OF THE MOLECULAR CHAIN OF A POLYMER | ELF ATOCHEM NORTH AMERICA, INC. (US) | 1996-05-14 | — | — | US | disclosed |
| US-5051531-A | As polymerization catalysts and for crosslinking | ATOCHEM NORTH AMERICA, INC. (US) | 1991-09-24 | — | — | US | disclosed |